SCHEMBL14720668

SCHEMBL14720668

CC(C)N(C[C@@H]1CCN(C(=O)O)C1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE6D O43924 1/20 0.37
LIMK2 P53671 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
DPP4 P27487 2/20 0.37
TPSAB1 Q15661 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP7 Q9UHL4 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14720297 0.84 LIMK2 (0.48) OPRD1LIMK2CHRM2CHRM3TPSAB1
SCHEMBL14720344 0.82 OPRM1 (0.42) OPRD1
SCHEMBL14720201 0.78 HDAC1 (0.52) CHRM2CHRM3KMT2A
SCHEMBL14731371 0.78 SMN1; SMN2 (0.46) L3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL14720407 0.74 CHRM3 (0.39) OPRD1HRH3CHRM2CHRM3POLB
SCHEMBL14731339 0.73 MCHR1 (0.49) CHRM2SMN1; SMN2POLBGPR119
SCHEMBL14720449 0.73 CHRM3 (0.52) CHRM2CHRM3KMT2A
SCHEMBL14720115 0.73 FASN (0.43) LIMK2TPSAB1ITGB3ITGA2BKMT2A
SCHEMBL14720130 0.72 CHIT1 (0.52) TPSAB1KMT2ANAMPT
SCHEMBL29134282 0.71 DPP8 (0.36) HRH3SMN1; SMN2POLBKMT2ADPP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed